CID 13285559

4-pyrimidinamine, 2,2'-(1,4-butanediylbis(thio))bis(6-methyl-

Structural Information

Molecular Formula
C14H20N6S2
SMILES
CC1=CC(=NC(=N1)SCCCCSC2=NC(=CC(=N2)N)C)N
InChI
InChI=1S/C14H20N6S2/c1-9-7-11(15)19-13(17-9)21-5-3-4-6-22-14-18-10(2)8-12(16)20-14/h7-8H,3-6H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKey
WNCNIOVYNWNZBH-UHFFFAOYSA-N
Compound name
2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11908 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12636 172.6
[M+Na]+ 359.10830 182.0
[M-H]- 335.11180 173.1
[M+NH4]+ 354.15290 181.5
[M+K]+ 375.08224 173.0
[M+H-H2O]+ 319.11634 163.6
[M+HCOO]- 381.11728 181.9
[M+CH3COO]- 395.13293 181.3
[M+Na-2H]- 357.09375 172.6
[M]+ 336.11853 174.5
[M]- 336.11963 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.